Quantitative structure-activity relationships for predicting fate and effects of chemicals in the evironment

Projektdetails

Gesamtkosten:

EU-Beitrag:

Koordiniert in:

Thema(en):

Finanzierungsprogramm:

CSC - Cost-sharing contracts

Ziel

One of the objectives of the original project is to develop new QSAR models for bioaccumulation, aquatic toxicity and abiotic and biotic degradation. The additional research will focus on: 1. The development of model-based QSAR equations using physiologically compartment models of biosystems. Model-based QSAR equations will be developed for structure-specific binding to cell constituents and for structure-nonspecific distribution processes. These insights will then be applied in the development of QSAR models for the ecotoxicity of non-reactive as well as reactive chemicals. (participant no. 7, in cooperation with participants 1 and 4). 2. The development of new models for biodegradation. The research will focuss on studying the separate processes in biodegradation (sorption, uptake, interaction With the enzyme) and to identify the rate limiting step in the overall process of biodegradation. Insight into these phenomena will lead to predictive models which are understood from a mechanistic point of view. (participant no. 8, in cooperation with participants 1, 4 and 5). The objectives of this project fit very well into the general objectives of the original proposal. The planned research is an additional contribution and extends the scope of the original project. This research will supply more theoretical insights into the QSAR models which will be developed in the original proposal. A better understanding of the models will at the same time increase their potential use for predictions of those environmental parameters which are used in risk assessment.